Computational Investigation of Marine Bioactive Compounds Reveals Frigocyclinone as a Potent Inhibitor of Kaposi’s Sarcoma Associated Herpesvirus (KSHV) Targets

In the present study, in silico analysis was employed to identify the action of marine bioactive compounds against KSHV targets. Virulence factor analysis of KSHV from literature review, three proteins LANA1, vIRF3/LANA2 and PF-8 were identified as putative drug targets. The quality of protein struc...

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Published inBiomedical & pharmacology journal Vol. 12; no. 3; p. 1289
Main Authors Ponnusamy, Nirmaladevi, Odumpatta, Rajasree, Damodharan, Pavithra, Arumugam, Mohanapriya
Format Journal Article
LanguageEnglish
Published Bhopal Biomedical and Pharmacology Journal 01.09.2019
Subjects
Algae
Ascorbic acid
Bioactive compounds
Biological activity
Computer applications
Crystal structure
Cytokines
Factor analysis
Gene expression
Kinases
Ligands
Literature reviews
Proteins
Sarcoma
Simulation
Software
Therapeutic targets
Virulence factors
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Summary:In the present study, in silico analysis was employed to identify the action of marine bioactive compounds against KSHV targets. Virulence factor analysis of KSHV from literature review, three proteins LANA1, vIRF3/LANA2 and PF-8 were identified as putative drug targets. The quality of protein structures play a significant role in the experimental structure validation and prediction, where the predicted structures may contain considerable errors was checked by SAVES v5.0 servers. By virtual screening four potential bioactive compounds Ascorbic acid, Salicylihalamide A, Salicylihalamide B and Frigocyclinone were predicted. One of the potential compounds of Frigocyclinone has acting against KSHV proteins. Hence, determined as the good lead molecule against KSHV. Molecular dynamic simulation studies revealed the stability of LANA1- Frigocyclinone complex and it could be a futuristic perspective chemical compound for Kaposi’s sarcoma.
ISSN:0974-6242
2456-2610
DOI:10.13005/bpj/1757